3-cyclohexyl-4,4-bis(propanoylamino)butane-2-sulfonic acid

Systemtic Name: 3-cyclohexyl-4,4-bis(propanoylamino)butane-2-sulfonic acid Openeye Name: 3-cyclohexyl-4,4-bis(propanoylamino)butane-2-sulfonic acid CAS Name: 3-cyclohexyl-4,4-bis(1-oxopropylamino)-2-butanesulfonic acid IUPAC Name: 3-cyclohexyl-4,4-bis(propanoylamino)butane-2-sulfonic acid Traditional Name: 3-cyclohexyl-4,4-dipropionamido-butane-2-sulfonic acid Formula: C16H30N2O5S MolecularWeight: 362.4848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(C(C1CCCCC1)C(C)S(=O)(=O)O)NC(=O)CC

Isomeric SMILES

CCC(=O)NC(C(C1CCCCC1)C(C)S(=O)(=O)O)NC(=O)CC

InChI

InChI=1S/C16H30N2O5S/c1-4-13(19)17-16(18-14(20)5-2)15(11(3)24(21,22)23)12-9-7-6-8-10-12/h11-12,15-16H,4-10H2,1-3H3,(H,17,19)(H,18,20)(H,21,22,23)